Basic information
- CAS
34329-69-6- Standard SMILES
NC(=O)c1ccc[n+](COC[n+]2cccc(C(N)=O)c2)c1.[Cl-].[Cl-]- InChIKey
ZXYHLJHQRVJJJV-UHFFFAOYSA-N- Molecular formula
- C14H16Cl2N4O3
- Average molar mass
- 359.2 g/mol
- Monoisotopic mass
- 358.0599458
Names & identifiers
- Preferred name
- Pyridinium, 1,1'-(oxydimethylene)bis(3-carbamoyl-, dichloride
- IUPAC
- 1-[(3-carbamoylpyridin-1-ium-1-yl)methoxymethyl]pyridin-1-ium-3-carboxamide dichloride
Names & synonyms
34329-69-6Pyridinium, 1,1'-(oxydimethylene)bis(3-carbamoyl-, dichloride1,1'-(Oxydimethylene)bis(3-carbamoylpyridinium chloride)RefChem:376939HS 8
Database identifiers
- CAS
34329-69-6- PubChem CID
- 214819
Properties
Computed structural properties
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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